2-[2-[(4-propylsulfonylphenyl)amino]ethanoylamino]ethanoic acid

Systemtic Name: 2-[2-[(4-propylsulfonylphenyl)amino]ethanoylamino]ethanoic acid Openeye Name: 2-[[2-(4-propylsulfonylanilino)acetyl]amino]acetic acid CAS Name: 2-[[1-oxo-2-(4-propylsulfonylanilino)ethyl]amino]acetic acid IUPAC Name: 2-[[2-(4-propylsulfonylanilino)acetyl]amino]acetic acid Traditional Name: 2-[[2-(4-propylsulfonylanilino)acetyl]amino]acetic acid Formula: C13H18N2O5S MolecularWeight: 314.35742

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)C1=CC=C(C=C1)NCC(=O)NCC(=O)O

Isomeric SMILES

CCCS(=O)(=O)C1=CC=C(C=C1)NCC(=O)NCC(=O)O

InChI

InChI=1S/C13H18N2O5S/c1-2-7-21(19,20)11-5-3-10(4-6-11)14-8-12(16)15-9-13(17)18/h3-6,14H,2,7-9H2,1H3,(H,15,16)(H,17,18)